Modeling SO_x trapping on a copper-doped CuO/SBA-15 sorbent material

Area of Science:

• Chemical Engineering
• Materials Science
• Environmental Science

Background:

• Sulfur dioxide (SO2) is a major air pollutant.
• Copper oxide (CuO) on SBA-15 is a promising sorbent for SO2 capture.
• Accurate modeling is crucial for optimizing industrial SO2 removal processes.

Purpose of the Study:

• To develop and validate efficient global models for simulating SO2 breakthrough curves.
• To compare the performance of different modeling approaches under various experimental conditions.
• To provide a tool for optimizing CuO/SBA-15 sorbent performance in industrial applications.

Main Methods:

• Experimental investigation of SO2 capture using CuO/SBA-15 in a fixed bed reactor.
• Development of two global kinetic models: a simplified model and a more complex model with surface and bulk trapping sites.
• Parameter estimation using Scilab software and optimization routines.
• Comparison of model simulations with experimental breakthrough curve data.

Main Results:

• A simplified model with four kinetic parameters failed to accurately predict breakthrough curves across different sorbent masses.
• A second, more complex model incorporating surface and bulk trapping sites with six kinetic parameters demonstrated significantly better agreement with experimental data.
• The enhanced model successfully simulated breakthrough curves under varying temperatures, SO2 concentrations, and sorbent masses.

Conclusions:

• The developed six-parameter model provides a robust simulation of SO2 breakthrough curves for CuO/SBA-15 sorbents.
• This model is suitable for predicting sorbent performance under diverse industrial operating conditions.
• The study highlights the importance of considering both surface and bulk trapping mechanisms for accurate sorbent behavior modeling.